The Ionic Liquid Property Explorer

To facilitate the discovery of new ionic liquids for sustainable applications, we have created a virtual library of over 8 million synthetically feasible ionic liquids. Each structure has been evaluated for their-task suitability using data-driven statistical models calculated for 12 highly relevant properties: melting point, thermal decomposition, glass transition, heat capacity, viscosity, density, cytotoxicity, CO2 solubility, surface tension, and electrical and thermal conductivity.  An interactive graphical user interface written in the Java programming language is provided as a way to query the library. All data including machine learning and COSMO-RS predictions have been compiled into an SQLite database. Filtering of compounds according to select property cut-offs allows for a targeted search. Query results may be additionally saved as a sortable HTML table for future inspection. If you find this useful kindly cite our paper

Venkatraman, V.; Evjen, S.; Chellappan Lethesh, K. The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents. Data 2019, 4, 88. https://doi.org/10.3390/data4020088

Venkatraman, V. et al., Sustainable Energy Fuels, 2019,3, 2798-2808. https://doi.org/10.1039/C9SE00472F